1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride

C13H20ClFN2O — CID 171182348

IUPAC1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1[C@H](CF)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-17-13-5-3-2-4-11(13)12(10-14)16-8-6-15-7-9-16;/h2-5,12,15H,6-10H2,1H3;1H/t12-;/m0./s1
InChIKeyTYRYSXOIDMHVLP-YDALLXLXSA-N
MW274.77 g/mol
LogP2.03
Rot. Bonds4

About 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171182348) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171182348
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1[C@H](CF)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-17-13-5-3-2-4-11(13)12(10-14)16-8-6-15-7-9-16;/h2-5,12,15H,6-10H2,1H3;1H/t12-;/m0./s1
InChIKeyTYRYSXOIDMHVLP-YDALLXLXSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182135
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride (CID 171182348) is 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride is COc1ccccc1[C@H](CF)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is TYRYSXOIDMHVLP-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-17-13-5-3-2-4-11(13)12(10-14)16-8-6-15-7-9-16;/h2-5,12,15H,6-10H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).